Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50136120'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50136120 (7-benzylimino(cyclopropylmethylamino)methylamino-2...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(NC(NCC4CC4)=NCc4ccccc4)cc2c1C[C@@]35O |w:32.37,TLB:17:18:44:7.13.12,3:4:44:7.13.12| Show InChI InChI=1S/C38H41N5O3/c44-30-13-10-25-16-31-38(45)18-28-27-17-26(41-36(40-20-23-6-7-23)39-19-22-4-2-1-3-5-22)11-12-29(27)42-33(28)35-37(38,32(25)34(30)46-35)14-15-43(31)21-24-8-9-24/h1-5,10-13,17,23-24,31,35,42,44-45H,6-9,14-16,18-21H2,(H2,39,40,41)/t31?,35-,37-,38+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand				J Med Chem 46: 5505-11 (2003) Article DOI: 10.1021/jm0309203 BindingDB Entry DOI: 10.7270/Q2V69K9X
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